Information card for entry 7044922

Structure parameters

• Formula: C45 H39 B Cu F4 N4 O1.5 P2
• Calculated formula: C45 H39 B Cu F4 N4 O1.5 P2
• Title of publication: The coordination- and photochemistry of copper(i) complexes: variation of N^N ligands from imidazole to tetrazole.
• Authors of publication: Bergmann, Larissa; Braun, Carolin; Nieger, Martin; Bräse, Stefan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 2
• Pages of publication: 608 - 621
• a: 23.3084 ± 0.0008 Å
• b: 15.1103 ± 0.0008 Å
• c: 23.8529 ± 0.001 Å
• α: 90°
• β: 98.53 ± 0.002°
• γ: 90°
• Cell volume: 8308 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No